UCSF

ZINC49549496

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 No

Popular Name: (4S)-4-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1,3-dimethyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7- (4S)-4-[3-(4-chlorophenyl)-1H-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 4.29 -8.85 2 6 0 79 373.869 2 ↓
Ref Reference (pH 7) 2.44 6.58 -8.88 2 6 0 76 373.869 2 ↓
Mid Mid (pH 6-8) 2.44 6.64 -9.08 2 6 0 76 373.869 2 ↓
Mid Mid (pH 6-8) 2.62 4.3 -9.11 2 6 0 79 373.869 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.